BDBM19442 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol::2-(4-methoxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol::Arzoxifene
SMILES: COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
InChI Key: InChIKey=MCGDSOGUHLTADD-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21.5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Illinois at Chicago | Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ... | J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 66.3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Illinois at Chicago | Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ... | J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals Curated by ChEMBL | Assay Description Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay | J Med Chem 58: 4888-904 (2015) Article DOI: 10.1021/acs.jmedchem.5b00054 BindingDB Entry DOI: 10.7270/Q29W0H7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis | J Med Chem 58: 4888-904 (2015) Article DOI: 10.1021/acs.jmedchem.5b00054 BindingDB Entry DOI: 10.7270/Q29W0H7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis | J Med Chem 58: 4888-904 (2015) Article DOI: 10.1021/acs.jmedchem.5b00054 BindingDB Entry DOI: 10.7270/Q29W0H7Q | |||||||||||
More data for this Ligand-Target Pair |